2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C18H21F2N3O4S — CID 53195558

IUPAC2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(F)cc2F)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H21F2N3O4S/c1-11-5-7-23(8-6-11)18(24)17-12(2)27-16(22-17)10-21-28(25,26)15-4-3-13(19)9-14(15)20/h3-4,9,11,21H,5-8,10H2,1-2H3
InChIKeyISESKTSAKPADAH-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.61
Rot. Bonds5

About 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 53195558) has the molecular formula C18H21F2N3O4S and a molecular weight of 413.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID53195558
Molecular FormulaC18H21F2N3O4S
Molecular Weight413.45 g/mol
Exact Mass413.12
IUPAC Name2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(F)cc2F)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H21F2N3O4S/c1-11-5-7-23(8-6-11)18(24)17-12(2)27-16(22-17)10-21-28(25,26)15-4-3-13(19)9-14(15)20/h3-4,9,11,21H,5-8,10H2,1-2H3
InChIKeyISESKTSAKPADAH-UHFFFAOYSA-N
XLogP2.61
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 53195558) is 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is Cc1oc(CNS(=O)(=O)c2ccc(F)cc2F)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is ISESKTSAKPADAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4S/c1-11-5-7-23(8-6-11)18(24)17-12(2)27-16(22-17)10-21-28(25,26)15-4-3-13(19)9-14(15)20/h3-4,9,11,21H,5-8,10H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53195558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).